N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide

C13H21NO3S — CID 121112259

IUPACN-(5-hydroxy-3-phenylpentyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCC(CCO)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-2-18(16,17)14-10-8-13(9-11-15)12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3
InChIKeyDFCQIYDFNRCLMF-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.48
Rot. Bonds8

About N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide

N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide (PubChem CID 121112259) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-3-phenylpentyl)ethanesulfonamide
PubChem CID121112259
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(5-hydroxy-3-phenylpentyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCC(CCO)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-2-18(16,17)14-10-8-13(9-11-15)12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3
InChIKeyDFCQIYDFNRCLMF-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide
CID 121112268
(3R)-5-(ethylamino)-3-phenylpentan-1-ol
CID 99992328
1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112411
N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide
CID 111448440
2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide
CID 99872882
N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 121112300
N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 99872864
N-[(3S)-5-hydroxy-3-phenylpentyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 99872886
N-(5-hydroxy-3-phenylpentyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121112316
N-(5-hydroxy-3-phenylpentyl)-3-nitrobenzenesulfonamide
CID 121112304
3-phenylundecan-1-ol
CID 101150144
N-(5-hydroxy-3-phenylpentyl)-4-methoxybenzamide
CID 121112144

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide?
The IUPAC name of N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide (CID 121112259) is N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide.
What is the SMILES notation for N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide?
The canonical SMILES for N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide is CCS(=O)(=O)NCCC(CCO)c1ccccc1.
What is the InChIKey of N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide?
The InChIKey is DFCQIYDFNRCLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-2-18(16,17)14-10-8-13(9-11-15)12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3.
What are the key properties of N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide?
N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide is sourced from PubChem (CID 121112259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).